4-Acetamidobutyric acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3025-96-5

    Molecular formula
    C6H11NO3

    SMILES
    CC(=O)NCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 49.33%
    Meaty 47.72%
    Savory 42.61%
    Sweet 26.89%
    Roasted 26.08%
    Cooked 25.15%
    Cheesy 24.03%
    Fishy 21.49%
    Milky 20.19%
    Burnt 18.52%

     

    Flavor
    Odorless 65.9%
    Sour 38.2%
    Acidic 30.92%
    Mild 29.2%
    Very mild 25.56%
    Yeast 23.51%
    Cheese 23.37%
    Acetoin 21.63%
    Bland 21.49%
    Soy 21.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    8.24 (weak base)

    Molecular weight
    145.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 171.38 ˚C est.

  • Synonyms

    • 4-Acetamidobutyric acid
    • 4-acetamidobutanoic acid
    • 3025-96-5
    • 4-(Acetylamino)butanoic acid
    • N-Acetyl-4-aminobutyric acid
    • Butanoic acid, 4-(acetylamino)-
    • N-Acetyl-4-aminobutanoic acid
    • N-acetyl GABA
    • BUTYRIC ACID, 4-ACETAMIDO-
    • gamma-Acetylaminobutyric acid
    • DF 469
    • NSC 27423
    • N-Acetyl-.gamma.-aminobutyric acid
    • 4-acetylaminobutyric acid
    • N4-Acetylaminobutanoic acid
    • EINECS 221-186-1
    • BRN 1762288
    • 3A70KD310L
    • NSC-27423
    • CHEBI:17645
    • DTXSID50184344
    • 4-04-00-02604 (Beilstein Handbook Reference)
    • RefChem:517286
    • N-Acetyl-gamma-aminobutyric acid
    • DTXCID60106835
    • Butanoic acid, 4-(acetylamino)-(9CI)
    • 221-186-1
    • MFCD00020552
    • .gamma.-Acetylaminobutyric acid
    • 4-acetamidobutyrate
    • 4-(acetylamino)butyric acid
    • UNII-3A70KD310L
    • N-acetyl-GABA
    • 4-acetamidobutanoicacid
    • 4-(acetylamino)butyrate
    • 4-(Acetylamino)butanoate
    • N-Acetyl-4-aminobutanoate
    • bmse000468
    • Butanoic acid, 4-acetamido-
    • SCHEMBL285421
    • SCHEMBL427250
    • N-Acetyl-.gamma.-aminobutyrate
    • orb1302614
    • 4-(Acetylamino)butanoic acid #
    • ALBB-036270
    • NSC27423
    • N-Acetyl-gamma-amino-n-butyric acid
    • s3358
    • SBB028464
    • AKOS000178808
    • CS-6350
    • EBC-154047
    • FA49529
    • N-Acetyl-.gamma.-amino-n-butyric acid
    • AS-60736
    • Butanoic acid, 4-(acetylamino)- (9CI)
    • DB-047735
    • HY-101411
    • NS00014736
    • EN300-18564
    • C02946
    • D87839
    • Q27102497
    • Z85888803
    • C4ACB70B-84C2-4E19-A262-C25088388B3F
    • 3025-96-5

  • Applications

    4-Acetamidobutyric acid (CAS 3025-96-5) is primarily used as an organic synthesis intermediate in pharmaceuticals and specialty chemicals. It provides a scaffold for building amino acid derivatives and peptidomimetics, including compounds related to GABAergic systems. In research and development, it may serve as a precursor for pharmaceutical intermediates and other functional materials. Additionally, in analytical and formulation contexts, it may be used as a reference or precursor material for amino acid analyses and related syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.85
    methanol 118.25
    isopropanol 13.66
    water 146.86
    ethyl acetate 2.33
    n-propanol 20.17
    acetone 13.5
    n-butanol 10.07
    acetonitrile 3.21
    DMF 197.07
    toluene 0.29
    isobutanol 11.11
    1,4-dioxane 4.23
    methyl acetate 5.32
    THF 12.3
    2-butanone 9.06
    n-pentanol 5.22
    sec-butanol 11.73
    n-hexane 0.43
    ethylene glycol 81.92
    NMP 173.99
    cyclohexane 0.15
    DMSO 242.92
    n-butyl acetate 2.76
    n-octanol 2.35
    chloroform 1.94
    n-propyl acetate 1.94
    acetic acid 76.62
    dichloromethane 2.25
    cyclohexanone 10.37
    propylene glycol 70.78
    isopropyl acetate 1.5
    DMAc 165.59
    2-ethoxyethanol 26.37
    isopentanol 7.96
    n-heptane 0.2
    ethyl formate 12.64
    1,2-dichloroethane 2.05
    n-hexanol 3.84
    2-methoxyethanol 70.6
    isobutyl acetate 1.02
    tetrachloromethane 1.31
    n-pentyl acetate 1.77
    transcutol 39.42
    n-heptanol 1.97
    ethylbenzene 0.5
    MIBK 2.87
    2-propoxyethanol 13.7
    tert-butanol 18.74
    MTBE 4.03
    2-butoxyethanol 6.86
    propionic acid 40.28
    o-xylene 0.87
    formic acid 232.17
    diethyl ether 1.29
    m-xylene 0.46
    p-xylene 0.8
    chlorobenzene 0.69
    dimethyl carbonate 4.97
    n-octane 0.08
    formamide 179.19
    cyclopentanone 18.43
    2-pentanone 3.88
    anisole 2.35
    cyclopentyl methyl ether 2.69
    gamma-butyrolactone 27.85
    1-methoxy-2-propanol 27.55
    pyridine 3.78
    3-pentanone 3.52
    furfural 42.29
    n-dodecane 0.06
    diethylene glycol 32.06
    diisopropyl ether 0.48
    tert-amyl alcohol 18.66
    acetylacetone 5.94
    n-hexadecane 0.06
    acetophenone 4.94
    methyl propionate 4.82
    isopentyl acetate 3.14
    trichloroethylene 4.02
    n-nonanol 2.04
    cyclohexanol 4.5
    benzyl alcohol 4.81
    2-ethylhexanol 2.26
    isooctanol 1.64
    dipropyl ether 1.06
    1,2-dichlorobenzene 1.39
    ethyl lactate 6.55
    propylene carbonate 14.63
    n-methylformamide 104.52
    2-pentanol 3.71
    n-pentane 0.24
    1-propoxy-2-propanol 8.38
    1-methoxy-2-propyl acetate 4.98
    2-(2-methoxypropoxy) propanol 18.31
    mesitylene 0.49
    ε-caprolactone 11.8
    p-cymene 0.84
    epichlorohydrin 12.34
    1,1,1-trichloroethane 1.5
    2-aminoethanol 93.35
    morpholine-4-carbaldehyde 66.52
    sulfolane 87.43
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 6.41
    n-hexyl acetate 3.19
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 16.0
    sec-butyl acetate 1.17
    tert-butyl acetate 2.67
    decalin 0.21
    glycerin 140.82
    diglyme 24.87
    acrylic acid 53.8
    isopropyl myristate 1.09
    n-butyric acid 17.61
    acetyl acetate 2.37
    di(2-ethylhexyl) phthalate 4.67
    ethyl propionate 2.13
    nitromethane 63.97
    1,2-diethoxyethane 2.33
    benzonitrile 2.82
    trioctyl phosphate 2.49
    1-bromopropane 0.89
    gamma-valerolactone 36.35
    n-decanol 1.37
    triethyl phosphate 3.29
    4-methyl-2-pentanol 2.48
    propionitrile 2.96
    vinylene carbonate 13.04
    1,1,2-trichlorotrifluoroethane 46.64
    DMS 4.15
    cumene 0.7
    2-octanol 1.24
    2-hexanone 3.06
    octyl acetate 1.71
    limonene 1.18
    1,2-dimethoxyethane 23.13
    ethyl orthosilicate 2.64
    tributyl phosphate 3.45
    diacetone alcohol 12.44
    N,N-dimethylaniline 3.79
    acrylonitrile 6.05
    aniline 2.18
    1,3-propanediol 52.05
    bromobenzene 0.43
    dibromomethane 1.42
    1,1,2,2-tetrachloroethane 4.04
    2-methyl-cyclohexyl acetate 3.41
    tetrabutyl urea 5.78
    diisobutyl methanol 1.5
    2-phenylethanol 3.33
    styrene 0.49
    dioctyl adipate 2.9
    dimethyl sulfate 22.15
    ethyl butyrate 2.25
    methyl lactate 17.01
    butyl lactate 6.59
    diethyl carbonate 2.17
    propanediol butyl ether 17.77
    triethyl orthoformate 2.49
    p-tert-butyltoluene 0.82
    methyl 4-tert-butylbenzoate 9.04
    morpholine 10.25
    tert-butylamine 6.66
    n-dodecanol 0.9
    dimethoxymethane 14.54
    ethylene carbonate 7.73
    cyrene 25.95
    2-ethoxyethyl acetate 3.49
    2-ethylhexyl acetate 2.31
    1,2,4-trichlorobenzene 2.11
    4-methylpyridine 4.02
    dibutyl ether 0.96
    2,6-dimethyl-4-heptanol 1.5
    DEF 15.12
    dimethyl isosorbide 23.38
    tetrachloroethylene 4.39
    eugenol 10.34
    triacetin 6.15
    span 80 11.3
    1,4-butanediol 20.7
    1,1-dichloroethane 1.15
    2-methyl-1-pentanol 5.66
    methyl formate 53.48
    2-methyl-1-butanol 9.73
    n-decane 0.11
    butyronitrile 2.41
    3,7-dimethyl-1-octanol 2.53
    1-chlorooctane 0.46
    1-chlorotetradecane 0.17
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.26
    cyclooctane 0.08
    cyclopentanol 9.63
    tetrahydropyran 1.94
    tert-amyl methyl ether 4.27
    2,5,8-trioxanonane 21.43
    1-hexene 0.92
    2-isopropoxyethanol 10.32
    2,2,2-trifluoroethanol 42.17
    methyl butyrate 4.29

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction